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PDB: 154 results

7SDE
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BU of 7sde by Molmil
Cryo-EM structure of Nse5/6 heterodimer
Descriptor: Non-structural maintenance of chromosome element 5, Ubiquitin-like protein SMT3,DNA repair protein KRE29 chimera
Authors:Yu, Y, Patel, D.J, Zhao, X.L.
Deposit date:2021-09-29
Release date:2021-10-13
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:The cryo-EM structure of Nse5/6 complex with the C terminal part of Nse5
To Be Published
7TVE
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BU of 7tve by Molmil
ATP and DNA bound SMC5/6 core complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA (68-MER), DNA (78-MER), ...
Authors:Yu, Y, Patel, D.J.
Deposit date:2022-02-04
Release date:2022-06-22
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structure of DNA-bound Smc5/6 reveals DNA clamping enabled by multi-subunit conformational changes.
Proc.Natl.Acad.Sci.USA, 119, 2022
2G3F
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BU of 2g3f by Molmil
Crystal Structure of imidazolonepropionase complexed with imidazole-4-acetic acid sodium salt, a substrate homologue
Descriptor: 2H-IMIDAZOL-4-YLACETIC ACID, Imidazolonepropionase, ZINC ION
Authors:Yu, Y, Liang, Y.H, Su, X.D.
Deposit date:2006-02-19
Release date:2006-09-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:A catalytic mechanism revealed by the crystal structures of the imidazolonepropionase from Bacillus subtilis
J.Biol.Chem., 281, 2006
4IRZ
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BU of 4irz by Molmil
Crystal structure of A4b7 headpiece complexed with Fab Natalizumab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Yu, Y, Schurpf, T, Springer, T.A.
Deposit date:2013-01-15
Release date:2013-09-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:How natalizumab binds and antagonizes alpha 4 integrins.
J.Biol.Chem., 288, 2013
4GIF
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BU of 4gif by Molmil
C-terminal coiled-coil domain of transient receptor potential channel TRPP3 (PKD2L1, Polycystin-L)
Descriptor: Polycystic kidney disease 2-like 1 protein
Authors:Yu, Y, Ulbrich, M.H, Li, M.-H, Dobbins, S, Zhang, W.K, Tong, L, Isacoff, E.Y, Yang, J.
Deposit date:2012-08-08
Release date:2012-12-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular mechanism of the assembly of an acid-sensing receptor ion channel complex.
Nat Commun, 3, 2012
4MKI
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BU of 4mki by Molmil
Cobalt transporter ATP-binding subunit
Descriptor: DODECYL-BETA-D-MALTOSIDE, Energy-coupling factor transporter ATP-binding protein EcfA2, SULFATE ION
Authors:Yu, Y, Zhang, L, Chai, C.L, Heymann, D.
Deposit date:2013-09-05
Release date:2013-10-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for a homodimeric ATPase subunit of an ECF transporter
Protein Cell, 4, 2013
3V4V
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BU of 3v4v by Molmil
crystal structure of a4b7 headpiece complexed with Fab ACT-1 and RO0505376
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Yu, Y, Zhu, J, Springer, T.A.
Deposit date:2011-12-15
Release date:2012-01-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural specializations of a4b7, an Integrin that Mediates Rolling Adhesion
J.Cell Biol., 196, 2012
3V4P
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BU of 3v4p by Molmil
crystal structure of a4b7 headpiece complexed with Fab ACT-1
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Yu, Y, Zhu, J, Springer, T.A.
Deposit date:2011-12-15
Release date:2012-01-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structural specializations of a4b7, an Integrin that Mediates Rolling Adhesion
J.Cell Biol., 196, 2012
7CR6
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BU of 7cr6 by Molmil
Synechocystis Cas1-Cas2/prespacer binary complex
Descriptor: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2 1, DNA (36-MER)
Authors:Yu, Y, Chen, Q.
Deposit date:2020-08-12
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.72 Å)
Cite:Mechanisms of spacer acquisition by sequential assembly of the adaptation module in Synechocystis.
Nucleic Acids Res., 49, 2021
7CR8
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BU of 7cr8 by Molmil
Synechocystis Cas1-Cas2-prespacerL complex
Descriptor: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2 1, DNA (36-MER)
Authors:Yu, Y, Chen, Q.
Deposit date:2020-08-12
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Mechanisms of spacer acquisition by sequential assembly of the adaptation module in Synechocystis.
Nucleic Acids Res., 49, 2021
4B2H
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BU of 4b2h by Molmil
COMPLEXES OF DODECIN WITH FLAVIN AND FLAVIN-LIKE LIGANDS
Descriptor: 3-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]propylcarbamic acid, CHLORIDE ION, DODECIN, ...
Authors:Yu, Y, Heidel, B, Parapugna, T.L, Wenderhold-Reeb, S, Song, B, Schoenherr, H, Grininger, M, Noell, G.
Deposit date:2012-07-16
Release date:2013-05-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Flavoprotein Dodecin as a Redox Probe for Electron Transfer Through DNA.
Angew.Chem.Int.Ed.Engl., 52, 2013
5XHS
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BU of 5xhs by Molmil
Crystal structure of SIRT5 complexed with a fluorogenic small-molecule substrate SuBKA
Descriptor: (2S)-2-azanyl-6-[(4-hydroxy-4-oxo-butanoyl)amino]hexanoic acid, 7-AMINO-4-METHYL-CHROMEN-2-ONE, NAD-dependent protein deacylase sirtuin-5, ...
Authors:Yu, Y, Li, B, Chen, Q.
Deposit date:2017-04-24
Release date:2018-05-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Interactions between sirtuins and fluorogenic small-molecule substrates offer insights into inhibitor design
Rsc Adv, 7, 2017
6K9V
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BU of 6k9v by Molmil
Crystal structure of tubulin in complex with inhibitor D64
Descriptor: (5-methoxy-1H-indol-2-yl)-phenyl-methanone, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Yu, Y, Chen, Q.
Deposit date:2019-06-18
Release date:2019-08-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.543 Å)
Cite:Structural insights into the design of indole derivatives as tubulin polymerization inhibitors.
Febs Lett., 594, 2020
5XLZ
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BU of 5xlz by Molmil
The crystal structure of tubulin complexed with a benzylidene derivative of 9(10H)-anthracenone
Descriptor: 10-[(4-methoxy-3-oxidanyl-phenyl)methylidene]anthracen-9-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Yu, Y, Chen, Q.
Deposit date:2017-05-12
Release date:2017-11-22
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.298 Å)
Cite:Structure of a benzylidene derivative of 9(10H)-anthracenone in complex with tubulin provides a rationale for drug design.
Biochem. Biophys. Res. Commun., 495, 2018
5XLT
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BU of 5xlt by Molmil
The crystal structure of tubulin in complex with 4'-demethylepipodophyllotoxin
Descriptor: (5S,5aR,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-oxidanyl-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Yu, Y, Chen, Q.
Deposit date:2017-05-11
Release date:2017-09-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.813 Å)
Cite:Structure of 4'-demethylepipodophyllotoxin in complex with tubulin provides a rationale for drug design
Biochem. Biophys. Res. Commun., 493, 2017
6KYQ
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BU of 6kyq by Molmil
Crystal structure of DCLK1 Autoinhibited Kinase Domain
Descriptor: BETA-MERCAPTOETHANOL, Serine/threonine-protein kinase DCLK1
Authors:Yu, Y, Chen, Q.
Deposit date:2019-09-20
Release date:2020-09-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.141 Å)
Cite:DCLK1 Autoinhibition and Activation in Tumorigenesis
Innovation (N Y), 2021
6KYR
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BU of 6kyr by Molmil
Crystal structure of DCLK1 mutant (P675L) Autoinhibited Kinase Domain
Descriptor: BETA-MERCAPTOETHANOL, Serine/threonine-protein kinase DCLK1
Authors:Yu, Y, Chen, Q.
Deposit date:2019-09-20
Release date:2020-09-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.206 Å)
Cite:DCLK1 Autoinhibition and Activation in Tumorigenesis
Innovation (N Y), 2021
7VYU
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BU of 7vyu by Molmil
Crystal structure of NatS
Descriptor: 3-oxoacyl-ACP synthase
Authors:Yu, Y, He, C, Wu, L, Zhang, Y.
Deposit date:2021-11-15
Release date:2022-08-24
Last modified:2023-03-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of NatS
To Be Published
7DQW
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BU of 7dqw by Molmil
E. coli GyrB ATPase domain in complex with 4-chlorophenol
Descriptor: 1H-benzimidazol-2-amine, 4-chlorophenol, DNA gyrase subunit B, ...
Authors:Yu, Y, Zhou, H.
Deposit date:2020-12-24
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DPS
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BU of 7dps by Molmil
E. coli GyrB ATPase domain in complex with Methyl 4-hydroxycinnamate
Descriptor: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
Authors:Yu, Y, Zhou, H.
Deposit date:2020-12-21
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DPR
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BU of 7dpr by Molmil
E. coli GyrB ATPase domain in complex with methyl 3,4-dihydroxybenzoate
Descriptor: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
Authors:Yu, Y, Zhou, H.
Deposit date:2020-12-21
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQM
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BU of 7dqm by Molmil
E. coli GyrB ATPase domain in complex with Naringenin
Descriptor: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
Authors:Yu, Y, Zhou, H.
Deposit date:2020-12-24
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQH
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BU of 7dqh by Molmil
E. coli GyrB ATPase domain in complex with 2-hydroxybenzamide
Descriptor: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
Authors:Yu, Y, Zhou, H.
Deposit date:2020-12-23
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQS
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BU of 7dqs by Molmil
E. coli GyrB ATPase domain in complex with 2-chlorophenol
Descriptor: 1H-benzimidazol-2-amine, 2-CHLOROPHENOL, DNA gyrase subunit B, ...
Authors:Yu, Y, Zhou, H.
Deposit date:2020-12-24
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQI
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BU of 7dqi by Molmil
E. coli GyrB ATPase domain in complex with Esculetin
Descriptor: 1H-benzimidazol-2-amine, 6,7-bis(oxidanyl)chromen-2-one, DNA gyrase subunit B, ...
Authors:Yu, Y, Zhou, H.
Deposit date:2020-12-23
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021

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